Task 38683735
| Name | test_512-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7473_1 |
| Workunit | 31618903 |
| Created | 27 Oct 2026, 13:02:57 UTC |
| Sent | 27 Oct 2026, 13:03:03 UTC |
| Report deadline | 1 Nov 2026, 13:03:03 UTC |
| Received | 28 Oct 2026, 16:52:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651945 |
| Run time | 38 min 46 sec |
| CPU time | 35 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,346.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 678.54 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:13:47 (7448): wrapper (7.9.26016): starting
12:13:47 (7448): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
12:13:49 (7448): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:13:49 (7448): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\16\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\16\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
12:50:43 (7448): C:/Windows/system32/cmd.exe exited; CPU time 2138.234375
12:50:43 (7448): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 40756643 bytes.
Dumping objects ->
{3835262} normal block at 0x0000026CE0BCD870, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x0000026CE0BCE210, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000026CE0BCDDB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835229} normal block at 0x0000026CE0AF5130, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000026CE0AF50C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835187} normal block at 0x0000026CE27DA4F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x0000026CE0AEF190, 8 bytes long.
Data: < ëàl > 00 00 EB E0 6C 02 00 00
{3833959} normal block at 0x0000026CE0AEF000, 8 bytes long.
Data: <ÀX†âl > C0 58 86 E2 6C 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026CE0AF1070, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026CE0ADF190, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000026CE0AF62C0, 16 bytes long.
Data: <h]¯àl > 68 5D AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026CE0AF6770, 16 bytes long.
Data: <@]¯àl > 40 5D AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026CE0AF04E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000026CE0AF6900, 16 bytes long.
Data: < ]¯àl > 18 5D AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026CE0AF5F50, 16 bytes long.
Data: <ð\¯àl > F0 5C AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026CE0AF6090, 16 bytes long.
Data: <È\¯àl > C8 5C AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026CE0AF5FF0, 16 bytes long.
Data: < \¯àl > A0 5C AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026CE0AF5670, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000026CE0AF6590, 16 bytes long.
Data: <(Y¯àl > 28 59 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026CE0AF06C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000026CE0AF6540, 16 bytes long.
Data: < Y¯àl > 00 59 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026CE0AF6950, 16 bytes long.
Data: <ØX¯àl > D8 58 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026CE0AF68B0, 16 bytes long.
Data: <°X¯àl > B0 58 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026CE0AF6450, 16 bytes long.
Data: < X¯àl > 88 58 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026CE0AF6180, 16 bytes long.
Data: <`X¯àl > 60 58 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026CE0AF6680, 16 bytes long.
Data: <8X¯àl > 38 58 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026CE0AF0420, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000026CE0AF6720, 16 bytes long.
Data: < X¯àl > 10 58 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026CE0AF5810, 320 bytes long.
Data: < g¯àl ¯àl > 20 67 AF E0 6C 02 00 00 20 04 AF E0 6C 02 00 00
{275} normal block at 0x0000026CE0AF6130, 16 bytes long.
Data: < \¯àl > 80 5C AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026CE0AF6D60, 16 bytes long.
Data: <X\¯àl > 58 5C AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026CE0AEFCA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000026CE0AF6C70, 16 bytes long.
Data: <0\¯àl > 30 5C AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026CE0AEFFA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000026CE0AF6860, 16 bytes long.
Data: <x[¯àl > 78 5B AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026CE0AF5FA0, 16 bytes long.
Data: <P[¯àl > 50 5B AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026CE0AF64F0, 16 bytes long.
Data: <([¯àl > 28 5B AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026CE0AF64A0, 16 bytes long.
Data: < [¯àl > 00 5B AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026CE0AF5EB0, 16 bytes long.
Data: <ØZ¯àl > D8 5A AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026CE0AEF8C0, 16 bytes long.
Data: <°Z¯àl > B0 5A AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026CE0AEF410, 16 bytes long.
Data: < U¯àl > 90 55 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026CE0AF5590, 40 bytes long.
Data: < ô®àl ð¤}âl > 10 F4 AE E0 6C 02 00 00 F0 A4 7D E2 6C 02 00 00
{261} normal block at 0x0000026CE0AEF870, 16 bytes long.
Data: < Z¯àl > 90 5A AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026CE0AEFBE0, 16 bytes long.
Data: <hZ¯àl > 68 5A AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026CE0AF08A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000026CE0AEF280, 16 bytes long.
Data: <@Z¯àl > 40 5A AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026CE0AF5A40, 992 bytes long.
Data: < ò®àl   ¯àl > 80 F2 AE E0 6C 02 00 00 A0 08 AF E0 6C 02 00 00
{93} normal block at 0x0000026CE0AF0180, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000026CE0AEF780, 16 bytes long.
Data: < U¯àl > 20 55 AF E0 6C 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000026CE0AF5520, 40 bytes long.
Data: < ÷®àl ¯àl > 80 F7 AE E0 6C 02 00 00 80 01 AF E0 6C 02 00 00
{70} normal block at 0x0000026CE0AEF550, 16 bytes long.
Data: < êöW÷ > 80 EA F6 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026CE0AEF320, 16 bytes long.
Data: <@éöW÷ > 40 E9 F6 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026CE0AEEC90, 16 bytes long.
Data: <øWóW÷ > F8 57 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026CE0AEF500, 16 bytes long.
Data: <ØWóW÷ > D8 57 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026CE0AEF6E0, 16 bytes long.
Data: <P óW÷ > 50 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026CE0AEF460, 16 bytes long.
Data: <0 óW÷ > 30 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026CE0AEEF10, 16 bytes long.
Data: <à óW÷ > E0 02 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026CE0AEEE20, 16 bytes long.
Data: < óW÷ > 10 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026CE0AEF9B0, 16 bytes long.
Data: <p óW÷ > 70 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026CE0AEF910, 16 bytes long.
Data: < ÀñW÷ > 18 C0 F1 57 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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